Glycoside
GD067817
Name:
Cnidioside AFormula:
C17H20O9Smiles:
O=C(O)CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)CCc1cc2ccoc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD32238
Formula: C11H10O4
Smiles:
O=C(O)CCc1cc2ccoc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
